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Information card for entry 7250564
Preview
| Coordinates | 7250564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.29 H1.14 O0.57 S0.86 |
|---|---|
| Calculated formula | C2.28571 H1.14286 O0.571429 S0.857143 |
| Title of publication | Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene |
| Authors of publication | Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 9.756 ± 0.002 Å |
| b | 12.219 ± 0.002 Å |
| c | 7.5175 ± 0.0015 Å |
| α | 90° |
| β | 102.31 ± 0.03° |
| γ | 90° |
| Cell volume | 875.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300128 (current) | 2025-06-19 | cif/ Adding structures of 7250562, 7250563, 7250564, 7250565 via cif-deposit CGI script. |
7250564.cif |
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Users of the data should acknowledge the original authors of the
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